SCHEMBL5751012

SCHEMBL5751012

CCC1=CC(=O)OC(CC)(CC)O1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.33
CDC25B P30305 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17358658 0.83 POLB (0.31)
SCHEMBL7235362 0.76 ALDH1A1 (0.33) PTPN1CDC25BALDH1A1HPGD
SCHEMBL7112252 0.68
SCHEMBL25529234 0.65
SCHEMBL7237918 0.63 PTPN1 (0.35) PTPN1CDC25BALDH1A1HPGD
SCHEMBL2710911 0.62 PTPN1 (0.40) PTPN1CDC25B
SCHEMBL16174854 0.62 LMNA (0.44) PTPN1CDC25B
SCHEMBL16174752 0.62 PTPN1 (0.36) PTPN1CDC25B
SCHEMBL10180847 0.61 HCAR3 (0.33) PTPN1
SCHEMBL16175080 0.61 PTPN1 (0.35) PTPN1CDC25B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0800537-A1 A DIRECT PROCESS FOR THE PRODUCTION OF CELLULOSE ESTERS EASTMAN CHEMICAL COMPANY (US) 1997-10-15 EP claimed
WO-1996020960-A1 A DIRECT PROCESS FOR THE PRODUCTION OF CELLULOSE ESTERS EASTMAN CHEMICAL COMPANY (US) 1996-07-11 WO claimed
EP-0716081-B1 Highly selective process for the preparation of enantiomerically pure phenyl-substituted 1,4-dihydropyridine-3,5-dicarboxylic acid derivatives BAYER HEALTHCARE AG (DE) 2006-04-05 EP disclosed
EP-1443043-A2 Highly selective process for the preparation of enantiomerically pure phenyl-substituted 1,4-dihydropyridine-3,5-dicarboxylic acid derivatives Bayer HealthCare AG (DE) 2004-08-04 EP disclosed
US-RE36607-E Pyrrolidine compounds and process of preparing BAYER AKTIENGESELLSCHAFT (DE) 2000-03-07 US disclosed
US-5910593-A Highly selective process for the preparation of enantiomerically pure phenylsubstituted 1,4-dihydropyridine-3,5-dicarboxylic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 1999-06-08 US disclosed
US-5849924-A Highly selective process for the preparation of enantiomerically pure phenyl-substituted 1,4-dihydropyridine-3,5-dicarboxylic acid derivatives BAYER AKTIENGESELLSCAHFT (DE) 1998-12-15 US disclosed
US-5700948-A CALCIUM ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 1997-12-23 US disclosed
EP-0716081-A1 Highly selective process for the preparation of enantiomerically pure phenyl-substituted 1,4-dihydropyridine-3,5-dicarboxylic acid derivatives BAYER AG (DE) 1996-06-12 EP disclosed
EP-0598038-A1 CELLULOSE ACETOACETATES. EASTMAN KODAK CO (US) 1994-05-25 EP disclosed
WO-1993003063-A1 CELLULOSE ACETOACETATES EASTMAN CHEMICAL COMPANY (US) 1993-02-18 WO disclosed